Information card for entry 4516083

Structure parameters

• Formula: C22 H18 N2
• Calculated formula: C22 H18 N2
• SMILES: n1(c(nc(c2ccccc2)c1)c1ccccc1)Cc1ccccc1
• Title of publication: Synthesis of 1,2,4-Trisubstituted-(1<i>H</i>)-imidazoles through Cu(OTf)₂-/I₂-Catalyzed C-C Bond Cleavage of Chalcones and Benzylamines.
• Authors of publication: Salfeena, Chettiyan Thodi F.; Jalaja, Renjitha; Davis, Rincy; Suresh, Eringathodi; Somappa, Sasidhar B.
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 7
• Pages of publication: 8074 - 8082
• a: 9.7088 ± 0.0013 Å
• b: 11.3662 ± 0.0015 Å
• c: 14.8567 ± 0.0019 Å
• α: 90°
• β: 97.069 ± 0.002°
• γ: 90°
• Cell volume: 1627 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No